SCHEMBL18507679

SCHEMBL18507679

CCC(COCC1CO1)(OCC1CO1)OCC1CO1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.57
MAPK1 P28482 1/20 0.57
ALDH1A1 P00352 7/20 0.50
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 1/20 0.43
TP53 P04637 3/20 0.32
MAPT P10636 2/20 0.32
HPGD P15428 2/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
KMT2A Q03164 1/20 0.32
PPARG P37231 1/20 0.32
HIF1A Q16665 1/20 0.32
CYP3A4 P08684 1/20 0.31
GLA P06280 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14329534 0.82 TSHR (0.59) TSHRMAPK1ALDH1A1SMN1; SMN2TDP1
SCHEMBL27562488 0.81 TSHR (0.57) TSHRMAPK1ALDH1A1SMN1; SMN2TDP1
SCHEMBL13067061 0.78 TSHR (0.63) TSHRMAPK1ALDH1A1SMN1; SMN2TDP1
SCHEMBL36668 0.78 TSHR (0.63) TSHRMAPK1ALDH1A1SMN1; SMN2TDP1
SCHEMBL9058588 0.78 TSHR (0.63) TSHRMAPK1ALDH1A1SMN1; SMN2TDP1
SCHEMBL23734812 0.78 TSHR (0.63) TSHRMAPK1ALDH1A1SMN1; SMN2TDP1
SCHEMBL11983797 0.76 TSHR (0.67) TSHRMAPK1ALDH1A1SMN1; SMN2TDP1
SCHEMBL13383371 0.76 TSHR (0.80) TSHRMAPK1ALDH1A1SMN1; SMN2TDP1
SCHEMBL19414927 0.76 TSHR (0.67) TSHRMAPK1ALDH1A1SMN1; SMN2TDP1
SCHEMBL13400269 0.76 TSHR (0.67) TSHRMAPK1ALDH1A1SMN1; SMN2TDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017027482-A1 ANIONIC CURABLE COMPOSITIONS DESIGNER MOLECULES, INC. (US) 2017-02-16 WO disclosed